#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj3 s SER 2 N 0.00 4.00 0.30 1.61 0.01 -1.26 -5.09 113.70 113.27 2dj3 s SER 2 Ca 0.00 -0.55 -0.28 0.00 1.31 0.00 0.00 55.95 56.43 2dj3 s SER 2 Cb 0.00 -0.60 -0.13 0.00 0.21 0.00 0.00 66.02 65.49 2dj3 s SER 2 CO 0.00 0.16 1.13 -1.20 0.41 0.00 0.00 173.24 173.75 2dj3 n SER 3 N 0.64 1.89 0.00 2.44 7.64 -1.26 -4.99 113.62 119.99 2dj3 n SER 3 Ca -0.14 1.19 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2dj3 n SER 3 Cb 0.53 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 2dj3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj3 n GLY 4 N 1.12 1.43 3.40 0.23 0.00 -1.26 -5.02 105.19 105.09 2dj3 n GLY 4 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 2dj3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj3 s SER 5 N 0.30 6.63 -0.21 1.61 0.01 -1.26 -5.02 113.70 115.76 2dj3 s SER 5 Ca 0.00 -2.20 -0.11 0.00 1.31 0.00 0.00 55.95 54.94 2dj3 s SER 5 Cb 0.00 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 2dj3 s SER 5 CO 0.00 -0.90 0.20 -0.94 0.41 0.00 0.00 173.24 172.01 2dj3 s SER 6 N 3.10 6.23 0.46 2.44 1.04 -1.26 -4.97 113.70 120.74 2dj3 s SER 6 Ca 0.25 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.93 2dj3 s SER 6 Cb -0.09 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2dj3 s SER 6 CO -0.07 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2dj3 n GLY 7 N 3.86 -2.53 0.25 7.32 0.00 -1.26 -4.48 105.19 108.35 2dj3 n GLY 7 Ca -0.14 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 2dj3 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj3 h PRO 8 N -1.38 0.81 -6.67 1.61 0.13 -1.93 -3.44 132.00 121.13 2dj3 h PRO 8 Ca -0.07 -0.43 -0.52 0.00 -0.87 0.00 0.00 66.00 64.11 2dj3 h PRO 8 Cb 1.35 0.02 0.03 0.00 0.13 0.00 0.00 31.00 32.52 2dj3 h PRO 8 CO 0.04 1.06 0.60 0.08 -0.23 0.00 0.00 178.00 179.56 2dj3 s VAL 9 N -4.33 3.41 -0.06 1.56 1.01 -1.26 -4.70 120.40 116.04 2dj3 s VAL 9 Ca -0.10 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.86 2dj3 s VAL 9 Cb 0.12 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2dj3 s VAL 9 CO 0.86 0.18 0.53 -0.75 0.00 0.00 0.00 175.10 175.92 2dj3 s LYS 10 N -0.15 4.28 0.15 2.72 2.20 -0.78 -4.81 119.74 123.36 2dj3 s LYS 10 Ca 0.55 0.58 -0.26 0.00 -0.36 0.00 0.00 55.97 56.47 2dj3 s LYS 10 Cb -0.34 -3.37 -0.07 0.00 -1.51 0.00 0.00 37.83 32.53 2dj3 s LYS 10 CO 0.37 0.30 0.81 0.08 -0.36 0.00 0.00 175.35 176.56 2dj3 s VAL 11 N 0.11 4.40 -0.06 4.02 1.01 -1.26 -0.04 120.40 128.58 2dj3 s VAL 11 Ca 0.28 1.78 0.01 0.00 0.00 0.00 0.00 61.98 64.05 2dj3 s VAL 11 Cb -0.17 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.05 2dj3 s VAL 11 CO 0.14 0.48 -0.08 -0.69 0.00 0.00 0.00 175.10 174.94 2dj3 s VAL 12 N -0.86 0.85 0.54 2.92 1.01 0.14 -4.86 120.40 120.13 2dj3 s VAL 12 Ca 0.38 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.15 2dj3 s VAL 12 Cb -0.23 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.38 2dj3 s VAL 12 CO 0.27 0.30 0.60 0.68 0.00 0.00 0.00 175.10 176.95 2dj3 s VAL 13 N 0.96 2.08 -1.33 2.92 -7.23 -1.26 -4.27 120.40 112.27 2dj3 s VAL 13 Ca -0.10 -1.21 0.10 0.00 -1.81 0.00 0.00 61.98 58.96 2dj3 s VAL 13 Cb -0.15 -2.29 0.15 0.00 0.56 0.00 0.00 36.38 34.66 2dj3 s VAL 13 CO 0.00 0.00 1.23 0.61 -0.31 0.00 0.00 175.10 176.63 2dj3 n GLY 14 N -1.98 -0.66 0.01 2.32 0.00 -1.26 -0.49 105.19 103.12 2dj3 n GLY 14 Ca 0.08 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.16 2dj3 n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dj3 n LYS 15 N -1.34 0.41 -0.19 1.61 2.85 -1.26 -4.36 118.16 115.89 2dj3 n LYS 15 Ca 0.04 -0.12 0.05 0.00 -1.05 0.00 0.00 58.31 57.23 2dj3 n LYS 15 Cb 0.09 -1.52 0.07 0.00 -0.65 0.00 0.00 35.03 33.02 2dj3 n LYS 15 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2dj3 n THR 16 N -1.98 1.09 0.06 0.58 -2.24 -0.53 -4.81 114.28 106.45 2dj3 n THR 16 Ca -0.01 -1.28 -0.04 0.00 -2.27 0.00 0.00 64.05 60.44 2dj3 n THR 16 Cb 0.48 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 2dj3 n THR 16 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2dj3 h PHE 17 N 0.00 -0.25 0.00 4.78 3.04 -0.98 -1.11 116.94 122.42 2dj3 h PHE 17 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2dj3 h PHE 17 Cb 1.08 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.67 2dj3 h PHE 17 CO 0.03 -0.13 0.00 -0.25 -2.02 0.00 0.00 178.31 175.94 2dj3 n ASP 18 N -4.95 0.00 -0.11 0.41 8.00 -1.26 -1.03 116.55 117.60 2dj3 n ASP 18 Ca -0.04 0.20 -0.23 0.00 0.71 0.00 0.00 54.79 55.43 2dj3 n ASP 18 Cb 0.12 -0.31 -0.11 0.00 -0.02 0.00 0.00 41.12 40.79 2dj3 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dj3 n ALA 19 N -1.31 1.21 -0.07 2.24 0.00 -1.22 -4.30 120.51 117.06 2dj3 n ALA 19 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2dj3 n ALA 19 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2dj3 n ALA 19 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dj3 n ILE 20 N -3.79 0.00 0.28 0.00 5.41 -0.42 -3.80 119.36 117.04 2dj3 n ILE 20 Ca -0.46 0.47 0.12 0.00 1.00 0.00 0.00 62.75 63.87 2dj3 n ILE 20 Cb 0.93 -1.45 0.53 0.00 -0.71 0.00 0.00 39.64 38.93 2dj3 n ILE 20 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dj3 h VAL 21 N 0.00 0.03 -0.58 1.39 2.07 -1.23 0.85 116.25 118.79 2dj3 h VAL 21 Ca 0.00 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.14 2dj3 h VAL 21 Cb 0.00 0.42 -0.24 0.00 -1.52 0.00 0.00 31.29 29.94 2dj3 h VAL 21 CO 0.00 0.00 -0.20 0.23 0.02 0.00 0.00 177.57 177.62 2dj3 n MET 22 N -2.86 2.56 -2.53 1.57 2.81 -0.78 -4.55 117.12 113.34 2dj3 n MET 22 Ca 0.01 -3.55 -0.43 0.00 -1.81 0.00 0.00 57.70 51.92 2dj3 n MET 22 Cb 0.66 -2.04 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 2dj3 n MET 22 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2dj3 s ASP 23 N -2.82 6.57 0.00 7.83 1.01 0.30 -4.76 116.67 124.80 2dj3 s ASP 23 Ca 0.50 0.64 0.15 0.00 0.71 0.00 0.00 52.55 54.55 2dj3 s ASP 23 Cb 0.42 -2.55 0.80 0.00 1.01 0.00 0.00 42.92 42.61 2dj3 s ASP 23 CO 0.01 -1.27 1.39 -0.81 0.21 0.00 0.00 175.17 174.69 2dj3 n PRO 24 N 7.82 0.29 0.06 8.23 -0.04 -1.26 -2.60 135.00 147.51 2dj3 n PRO 24 Ca 0.13 0.10 -0.19 0.00 -0.04 0.00 0.00 63.50 63.50 2dj3 n PRO 24 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 2dj3 n PRO 24 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2dj3 h LYS 25 N 0.00 0.30 -3.74 0.54 1.79 -1.92 -3.39 116.57 110.15 2dj3 h LYS 25 Ca 0.00 -0.52 -0.11 0.00 -2.18 0.00 0.00 60.65 57.84 2dj3 h LYS 25 Cb 0.10 0.19 -0.16 0.00 -1.58 0.00 0.00 32.23 30.78 2dj3 h LYS 25 CO 0.00 1.18 -0.44 -1.59 -1.08 0.00 0.00 179.45 177.52 2dj3 s LYS 26 N -2.60 0.69 -0.36 3.15 -2.85 -1.07 -4.91 119.74 111.79 2dj3 s LYS 26 Ca -0.12 -0.79 -0.29 0.00 -1.00 0.00 0.00 55.97 53.77 2dj3 s LYS 26 Cb 0.06 0.28 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2dj3 s LYS 26 CO 0.85 -0.19 1.15 -0.51 0.10 0.00 0.00 175.35 176.75 2dj3 s ASP 27 N -2.34 6.77 -0.23 0.03 1.11 -0.62 -4.24 116.67 117.15 2dj3 s ASP 27 Ca -0.02 0.91 -0.10 0.00 0.18 0.00 0.00 52.55 53.53 2dj3 s ASP 27 Cb 0.01 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.41 2dj3 s ASP 27 CO -0.06 -1.05 0.14 -0.69 1.18 0.00 0.00 175.17 174.69 2dj3 s VAL 28 N 4.10 5.19 -0.53 -1.27 1.01 -0.85 -3.09 120.40 124.97 2dj3 s VAL 28 Ca 0.49 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 2dj3 s VAL 28 Cb -0.12 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.92 2dj3 s VAL 28 CO 0.22 0.36 0.65 -0.22 0.00 0.00 0.00 175.10 176.11 2dj3 s LEU 29 N 0.99 5.06 -0.06 3.92 2.96 -1.14 -1.96 118.68 128.44 2dj3 s LEU 29 Ca 0.07 -1.03 -0.18 0.00 -0.22 0.00 0.00 54.13 52.76 2dj3 s LEU 29 Cb -0.13 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 2dj3 s LEU 29 CO 0.04 -0.95 0.51 -0.51 -1.32 0.00 0.00 176.35 174.11 2dj3 s ILE 30 N 2.66 5.07 -0.31 6.68 1.10 0.42 -1.67 121.20 135.15 2dj3 s ILE 30 Ca 0.14 1.04 0.03 0.00 -0.51 0.00 0.00 60.65 61.35 2dj3 s ILE 30 Cb -0.20 -3.84 0.09 0.00 0.15 0.00 0.00 42.46 38.65 2dj3 s ILE 30 CO 0.11 0.39 0.01 -0.70 -2.11 0.00 0.00 174.94 172.64 2dj3 s GLU 31 N 0.10 1.57 -0.48 3.50 2.12 -1.07 0.63 118.70 125.07 2dj3 s GLU 31 Ca 0.27 -1.57 -0.28 0.00 0.36 0.00 0.00 54.97 53.75 2dj3 s GLU 31 Cb -0.16 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.31 2dj3 s GLU 31 CO 0.13 -0.83 1.41 -0.06 -0.54 0.00 0.00 175.26 175.37 2dj3 s PHE 32 N 1.08 2.35 0.28 5.30 0.08 0.20 -2.69 117.98 124.58 2dj3 s PHE 32 Ca 0.05 0.59 0.08 0.00 0.12 0.00 0.00 56.93 57.76 2dj3 s PHE 32 Cb -0.19 -4.35 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 2dj3 s PHE 32 CO -0.09 -1.96 0.17 1.52 -0.10 0.00 0.00 175.22 174.77 2dj3 s TYR 33 N 5.75 2.95 -0.11 0.36 -0.85 -0.85 -1.63 117.35 122.96 2dj3 s TYR 33 Ca 0.57 -0.20 0.03 0.00 -0.52 0.00 0.00 57.07 56.95 2dj3 s TYR 33 Cb -0.12 -1.47 0.00 0.00 0.38 0.00 0.00 41.96 40.76 2dj3 s TYR 33 CO 0.29 0.45 -0.22 0.00 -1.52 0.00 0.00 175.55 174.55 2dj3 s ALA 34 N -2.24 2.11 -1.94 9.51 0.00 -1.26 -4.06 121.76 123.88 2dj3 s ALA 34 Ca 0.35 -0.96 0.16 0.00 0.00 0.00 0.00 51.96 51.50 2dj3 s ALA 34 Cb -0.07 -0.85 0.91 0.00 0.00 0.00 0.00 23.12 23.11 2dj3 s ALA 34 CO 0.24 0.16 1.35 -0.35 0.00 0.00 0.00 175.76 177.16 2dj3 n PRO 35 N 3.75 0.46 -0.06 0.00 -0.04 -1.26 -1.97 135.00 135.88 2dj3 n PRO 35 Ca -0.20 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.36 2dj3 n PRO 35 Cb 0.52 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 2dj3 n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dj3 n TRP 36 N -1.03 0.00 -4.78 0.54 4.27 -1.26 -5.02 117.44 110.16 2dj3 n TRP 36 Ca 0.11 -0.87 -0.33 0.00 -3.89 0.00 0.00 57.50 52.52 2dj3 n TRP 36 Cb 0.06 -0.13 -0.12 0.00 -1.36 0.00 0.00 31.31 29.76 2dj3 n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dj3 h GLY 38 N 5.29 0.55 0.41 0.00 0.00 -1.95 -3.34 103.07 104.03 2dj3 h GLY 38 Ca -0.47 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 45.87 2dj3 h GLY 38 CO 0.51 0.86 -0.32 0.84 0.00 0.00 0.00 176.54 178.43 2dj3 h HIS 39 N 0.27 -0.88 -1.12 5.60 -0.00 -1.95 -2.23 115.15 114.84 2dj3 h HIS 39 Ca -0.10 -0.00 0.40 0.00 -0.00 0.00 0.00 60.37 60.67 2dj3 h HIS 39 Cb 1.62 0.33 -0.13 0.00 -0.00 0.00 0.00 27.41 29.24 2dj3 h HIS 39 CO 0.07 -0.45 0.71 0.00 -0.00 0.00 0.00 177.93 178.26 2dj3 h LYS 41 N 0.00 0.57 0.00 0.00 1.57 -1.52 0.81 116.57 118.00 2dj3 h LYS 41 Ca 0.75 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 59.38 2dj3 h LYS 41 Cb 2.34 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.54 2dj3 h LYS 41 CO -0.45 0.50 -0.31 -0.56 -0.57 0.00 0.00 179.45 178.06 2dj3 h GLN 42 N 0.50 0.00 0.00 3.15 3.07 0.26 -2.89 115.11 119.20 2dj3 h GLN 42 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 2dj3 h GLN 42 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.67 2dj3 h GLN 42 CO -0.02 0.31 -0.91 -0.11 0.09 0.00 0.00 178.83 178.19 2dj3 n LEU 43 N -3.45 0.78 -0.35 0.06 7.94 -0.38 -4.18 117.00 117.42 2dj3 n LEU 43 Ca 0.00 0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.05 2dj3 n LEU 43 Cb 0.49 -0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.26 2dj3 n LEU 43 CO 0.35 -0.12 0.50 -0.33 -1.11 0.00 0.00 177.39 176.68 2dj3 h GLU 44 N 0.00 -0.09 -0.33 1.96 5.08 0.87 0.33 114.58 122.39 2dj3 h GLU 44 Ca 0.00 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2dj3 h GLU 44 Cb 0.90 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2dj3 h GLU 44 CO 0.00 -0.06 -0.32 -1.00 -1.00 0.00 0.00 179.01 176.63 2dj3 h PRO 45 N -0.09 0.80 -0.91 2.33 0.13 -1.76 -2.78 132.00 129.72 2dj3 h PRO 45 Ca 0.16 -0.42 0.12 0.00 -0.87 0.00 0.00 66.00 64.99 2dj3 h PRO 45 Cb 0.47 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.55 2dj3 h PRO 45 CO -0.86 1.05 0.58 0.82 -0.23 0.00 0.00 178.00 179.36 2dj3 h ILE 46 N 0.58 0.91 -0.00 -3.56 2.04 -1.39 -0.42 117.51 115.65 2dj3 h ILE 46 Ca 0.05 -0.28 -0.18 0.00 1.00 0.00 0.00 64.86 65.46 2dj3 h ILE 46 Cb 0.90 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2dj3 h ILE 46 CO 0.08 0.15 -0.80 0.22 0.00 0.00 0.00 178.15 177.80 2dj3 h TYR 47 N 0.82 0.15 0.27 1.37 3.20 -0.35 -3.18 116.97 119.26 2dj3 h TYR 47 Ca 0.44 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 2dj3 h TYR 47 Cb 0.55 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2dj3 h TYR 47 CO -0.00 0.86 -0.35 1.15 -1.64 0.00 0.00 178.16 178.18 2dj3 h THR 48 N 0.06 0.00 -0.60 1.81 2.02 -0.79 -2.01 112.91 113.41 2dj3 h THR 48 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.27 2dj3 h THR 48 Cb 1.40 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 2dj3 h THR 48 CO 0.11 0.00 0.41 0.28 0.37 0.00 0.00 175.52 176.69 2dj3 h SER 49 N -0.64 0.28 -0.08 4.18 0.02 -1.63 0.10 113.55 115.78 2dj3 h SER 49 Ca -0.03 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2dj3 h SER 49 Cb 0.57 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2dj3 h SER 49 CO -0.08 0.16 0.07 0.25 -1.14 0.00 0.00 176.83 176.09 2dj3 h LEU 50 N 0.31 0.00 0.00 5.07 5.85 -1.35 -1.12 115.31 124.07 2dj3 h LEU 50 Ca 0.28 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2dj3 h LEU 50 Cb 0.69 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2dj3 h LEU 50 CO -0.07 0.00 -0.68 0.61 -0.34 0.00 0.00 178.44 177.97 2dj3 n GLY 51 N -1.47 -0.91 0.35 3.75 0.00 0.29 -2.77 105.19 104.44 2dj3 n GLY 51 Ca -0.01 -0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.04 2dj3 n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dj3 h LYS 52 N -1.00 0.00 0.08 1.61 2.10 -1.40 1.09 116.57 119.05 2dj3 h LYS 52 Ca -0.06 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.27 2dj3 h LYS 52 Cb 0.67 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.98 2dj3 h LYS 52 CO -0.04 0.00 -1.73 0.36 -2.00 0.00 0.00 179.45 176.04 2dj3 n LYS 53 N -3.08 0.69 0.00 0.07 2.85 -0.43 -4.06 118.16 114.20 2dj3 n LYS 53 Ca 0.01 0.38 0.15 0.00 -1.05 0.00 0.00 58.31 57.80 2dj3 n LYS 53 Cb 0.50 -1.72 0.72 0.00 -0.65 0.00 0.00 35.03 33.88 2dj3 n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2dj3 n TYR 54 N -3.84 0.00 -0.09 5.58 4.02 -0.09 -3.75 117.16 119.00 2dj3 n TYR 54 Ca -0.32 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.58 2dj3 n TYR 54 Cb 0.92 -0.12 0.31 0.00 -0.02 0.00 0.00 39.34 40.43 2dj3 n TYR 54 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 2dj3 h LYS 55 N 0.57 0.72 -1.03 -0.72 1.79 0.99 -2.07 116.57 116.82 2dj3 h LYS 55 Ca 0.00 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.31 2dj3 h LYS 55 Cb 0.26 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.71 2dj3 h LYS 55 CO 0.00 0.55 0.11 0.41 -1.08 0.00 0.00 179.45 179.44 2dj3 n GLY 56 N -1.25 2.43 2.09 3.86 0.00 -1.25 -4.86 105.19 106.20 2dj3 n GLY 56 Ca 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2dj3 n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dj3 n GLN 57 N 0.27 0.26 -3.70 1.61 1.13 -0.78 -5.07 117.38 111.10 2dj3 n GLN 57 Ca 0.10 -1.48 -0.39 0.00 -1.94 0.00 0.00 57.00 53.29 2dj3 n GLN 57 Cb 0.68 -0.34 -0.12 0.00 0.11 0.00 0.00 30.24 30.57 2dj3 n GLN 57 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2dj3 s LYS 58 N -3.82 2.63 -1.09 -1.09 -0.14 -1.26 -4.59 119.74 110.39 2dj3 s LYS 58 Ca 0.35 -1.23 -0.01 0.00 -1.36 0.00 0.00 55.97 53.72 2dj3 s LYS 58 Cb -0.02 -3.57 0.00 0.00 -1.68 0.00 0.00 37.83 32.56 2dj3 s LYS 58 CO 0.23 -0.74 0.91 -0.25 -0.76 0.00 0.00 175.35 174.75 2dj3 n ASP 59 N 4.86 -2.45 -3.71 2.83 8.00 -1.26 -4.83 116.55 119.98 2dj3 n ASP 59 Ca -0.12 -0.55 -0.13 0.00 0.71 0.00 0.00 54.79 54.71 2dj3 n ASP 59 Cb 0.44 -4.62 -0.14 0.00 -0.02 0.00 0.00 41.12 36.79 2dj3 n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2dj3 s LEU 60 N -5.97 0.30 -0.11 0.64 2.96 -1.26 -1.59 118.68 113.65 2dj3 s LEU 60 Ca 0.06 0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 2dj3 s LEU 60 Cb -0.02 0.60 0.04 0.00 0.50 0.00 0.00 46.19 47.31 2dj3 s LEU 60 CO 0.65 -0.18 0.06 -0.69 -1.32 0.00 0.00 176.35 174.87 2dj3 s VAL 61 N 1.55 0.05 -0.45 1.68 1.01 -1.18 -4.71 120.40 118.36 2dj3 s VAL 61 Ca -0.06 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2dj3 s VAL 61 Cb -0.11 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.83 2dj3 s VAL 61 CO -0.08 -0.01 1.19 -0.63 0.00 0.00 0.00 175.10 175.56 2dj3 s ILE 62 N 2.09 4.17 0.28 2.22 1.01 -1.26 -2.88 121.20 126.82 2dj3 s ILE 62 Ca 0.03 1.20 0.11 0.00 0.00 0.00 0.00 60.65 62.00 2dj3 s ILE 62 Cb -0.14 -4.52 -0.05 0.00 0.01 0.00 0.00 42.46 37.76 2dj3 s ILE 62 CO -0.06 -0.93 -0.16 0.00 0.00 0.00 0.00 174.94 173.79 2dj3 s ALA 63 N 4.58 2.83 0.25 9.38 0.00 -0.67 -1.86 121.76 136.28 2dj3 s ALA 63 Ca 0.50 -1.83 0.04 0.00 0.00 0.00 0.00 51.96 50.67 2dj3 s ALA 63 Cb -0.09 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2dj3 s ALA 63 CO 0.31 0.28 0.01 -1.59 0.00 0.00 0.00 175.76 174.76 2dj3 s LYS 64 N -3.53 1.41 0.06 0.00 -2.85 0.95 -2.59 119.74 113.19 2dj3 s LYS 64 Ca 0.30 -1.73 -0.26 0.00 -1.00 0.00 0.00 55.97 53.28 2dj3 s LYS 64 Cb -0.05 -0.69 0.09 0.00 -2.06 0.00 0.00 37.83 35.11 2dj3 s LYS 64 CO 0.16 -0.11 0.77 1.41 0.10 0.00 0.00 175.35 177.68 2dj3 s MET 65 N -3.86 1.02 -0.36 1.78 1.75 -1.09 0.28 119.30 118.81 2dj3 s MET 65 Ca 0.30 -0.37 -0.07 0.00 -1.25 0.00 0.00 55.69 54.30 2dj3 s MET 65 Cb 0.06 0.47 0.05 0.00 2.84 0.00 0.00 34.83 38.25 2dj3 s MET 65 CO 0.10 -0.44 0.15 0.34 -0.65 0.00 0.00 175.02 174.52 2dj3 s ASP 66 N -2.60 5.41 0.48 1.11 2.15 -1.26 -2.02 116.67 119.94 2dj3 s ASP 66 Ca 0.03 -1.25 0.27 0.00 0.43 0.00 0.00 52.55 52.04 2dj3 s ASP 66 Cb -0.01 -1.90 1.04 0.00 -0.30 0.00 0.00 42.92 41.75 2dj3 s ASP 66 CO -0.11 -0.38 1.87 0.00 -0.17 0.00 0.00 175.17 176.38 2dj3 h ALA 67 N 8.26 1.01 0.00 3.66 0.00 -1.74 0.27 119.26 130.73 2dj3 h ALA 67 Ca -0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2dj3 h ALA 67 Cb 1.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2dj3 h ALA 67 CO 0.64 0.17 -0.06 1.79 0.00 0.00 0.00 179.25 181.79 2dj3 h THR 68 N 0.00 0.23 0.00 0.00 1.35 -1.92 -3.32 112.91 109.24 2dj3 h THR 68 Ca -0.00 -0.50 -0.08 0.00 -0.55 0.00 0.00 66.41 65.27 2dj3 h THR 68 Cb 0.68 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 2dj3 h THR 68 CO 0.02 0.06 -1.30 0.00 -0.25 0.00 0.00 175.52 174.05 2dj3 n ALA 69 N -2.16 2.20 -2.64 6.62 0.00 -1.05 -4.99 120.51 118.48 2dj3 n ALA 69 Ca -0.01 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.81 2dj3 n ALA 69 Cb 0.26 0.40 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 2dj3 n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dj3 s ASN 70 N -4.91 6.53 -0.27 0.00 0.01 0.92 -5.03 114.94 112.19 2dj3 s ASN 70 Ca -0.07 0.64 -0.29 0.00 -0.71 0.00 0.00 52.86 52.43 2dj3 s ASN 70 Cb 0.02 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.40 2dj3 s ASN 70 CO 0.11 -0.23 1.06 -1.81 -1.51 0.00 0.00 177.10 174.71 2dj3 s ASP 71 N 1.30 7.03 -0.43 -1.22 1.11 -1.26 -4.23 116.67 118.97 2dj3 s ASP 71 Ca 0.24 1.24 -0.28 0.00 0.18 0.00 0.00 52.55 53.93 2dj3 s ASP 71 Cb -0.15 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.27 2dj3 s ASP 71 CO 0.09 -0.76 1.87 -0.63 1.18 0.00 0.00 175.17 176.92 2dj3 s ILE 72 N 3.40 3.40 0.35 0.77 1.01 -1.26 -4.85 121.20 124.02 2dj3 s ILE 72 Ca 0.45 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.49 2dj3 s ILE 72 Cb -0.14 -3.68 0.19 0.00 0.01 0.00 0.00 42.46 38.85 2dj3 s ILE 72 CO 0.10 -0.53 1.93 0.71 0.00 0.00 0.00 174.94 177.15 2dj3 h THR 73 N 6.90 1.17 -2.22 2.92 1.35 -1.93 -3.44 112.91 117.67 2dj3 h THR 73 Ca -0.31 -0.59 -0.25 0.00 -0.55 0.00 0.00 66.41 64.72 2dj3 h THR 73 Cb 1.18 0.75 0.14 0.00 -1.73 0.00 0.00 68.15 68.49 2dj3 h THR 73 CO 1.10 0.22 -0.19 0.59 -0.25 0.00 0.00 175.52 176.99 2dj3 n ASN 74 N -4.34 -3.31 0.00 5.36 4.13 -1.26 -5.00 115.26 110.84 2dj3 n ASN 74 Ca 0.02 -0.52 0.00 0.00 1.68 0.00 0.00 54.58 55.77 2dj3 n ASN 74 Cb 0.18 -0.83 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 2dj3 n ASN 74 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2dj3 n ASP 75 N -2.46 3.77 0.12 6.41 9.92 -1.26 -4.73 116.55 128.33 2dj3 n ASP 75 Ca 0.08 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.32 2dj3 n ASP 75 Cb 0.40 0.11 0.17 0.00 -0.64 0.00 0.00 41.12 41.16 2dj3 n ASP 75 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2dj3 h GLN 76 N 0.00 0.09 -6.18 -1.24 7.50 -1.94 -3.40 115.11 109.93 2dj3 h GLN 76 Ca 0.00 -0.06 -0.53 0.00 0.50 0.00 0.00 58.65 58.56 2dj3 h GLN 76 Cb 0.89 0.01 -0.08 0.00 0.05 0.00 0.00 27.48 28.35 2dj3 h GLN 76 CO 0.00 0.65 1.21 0.71 -1.50 0.00 0.00 178.83 179.90 2dj3 s TYR 77 N -3.73 2.24 -0.12 2.96 1.51 -1.26 -4.92 117.35 114.04 2dj3 s TYR 77 Ca -0.02 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2dj3 s TYR 77 Cb 0.13 -4.54 -0.02 0.00 -0.11 0.00 0.00 41.96 37.42 2dj3 s TYR 77 CO 0.77 -2.04 -0.12 0.15 -1.11 0.00 0.00 175.55 173.21 2dj3 s LYS 78 N 5.76 3.26 -0.38 -0.62 -0.14 -1.26 -4.91 119.74 121.45 2dj3 s LYS 78 Ca 0.45 -0.66 -0.08 0.00 -1.36 0.00 0.00 55.97 54.32 2dj3 s LYS 78 Cb -0.06 -2.63 0.05 0.00 -1.68 0.00 0.00 37.83 33.52 2dj3 s LYS 78 CO 0.07 0.30 0.18 0.08 -0.76 0.00 0.00 175.35 175.22 2dj3 s VAL 79 N 0.12 4.10 -0.20 3.17 1.01 -1.26 -4.92 120.40 122.42 2dj3 s VAL 79 Ca -0.06 -1.20 0.14 0.00 0.00 0.00 0.00 61.98 60.87 2dj3 s VAL 79 Cb -0.15 -3.40 0.43 0.00 0.00 0.00 0.00 36.38 33.27 2dj3 s VAL 79 CO 0.04 -0.32 1.31 -0.62 0.00 0.00 0.00 175.10 175.51 2dj3 n GLU 80 N 4.88 1.85 0.00 2.72 1.02 -1.26 -5.00 120.64 124.86 2dj3 n GLU 80 Ca -0.11 -2.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.05 2dj3 n GLU 80 Cb 0.44 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dj3 n GLY 81 N -1.08 3.44 3.92 0.62 0.00 -1.26 -5.16 105.19 105.66 2dj3 n GLY 81 Ca 0.23 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2dj3 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dj3 s PHE 82 N 0.00 3.49 1.10 1.61 0.40 -1.26 -4.13 117.98 119.19 2dj3 s PHE 82 Ca 0.00 0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.54 2dj3 s PHE 82 Cb 0.00 -1.86 0.24 0.00 0.51 0.00 0.00 43.02 41.91 2dj3 s PHE 82 CO 0.00 0.48 1.10 -1.25 0.70 0.00 0.00 175.22 176.25 2dj3 s PRO 83 N -2.83 -0.39 -0.27 0.24 0.04 -1.26 -4.92 135.00 125.60 2dj3 s PRO 83 Ca 0.38 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2dj3 s PRO 83 Cb -0.12 -1.67 0.16 0.00 0.04 0.00 0.00 34.50 32.91 2dj3 s PRO 83 CO 0.27 -3.22 0.44 0.99 0.04 0.00 0.00 177.00 175.52 2dj3 s THR 84 N -2.99 -0.70 0.05 1.26 2.01 -0.65 -5.01 115.64 109.61 2dj3 s THR 84 Ca 0.68 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.46 2dj3 s THR 84 Cb -0.15 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2dj3 s THR 84 CO 0.57 -0.16 0.34 -0.63 -0.69 0.00 0.00 174.62 174.05 2dj3 s ILE 85 N 2.61 5.19 -0.04 1.82 1.01 -1.26 0.60 121.20 131.13 2dj3 s ILE 85 Ca 0.12 0.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 2dj3 s ILE 85 Cb -0.14 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.75 2dj3 s ILE 85 CO -0.23 0.30 0.10 -0.31 0.00 0.00 0.00 174.94 174.79 2dj3 s TYR 86 N -1.38 -0.09 -0.30 3.97 2.02 0.21 -2.26 117.35 119.51 2dj3 s TYR 86 Ca 0.31 0.31 -0.08 0.00 -0.37 0.00 0.00 57.07 57.24 2dj3 s TYR 86 Cb -0.13 -0.08 0.00 0.00 -0.40 0.00 0.00 41.96 41.35 2dj3 s TYR 86 CO 0.18 -0.10 0.11 0.12 -1.57 0.00 0.00 175.55 174.29 2dj3 s PHE 87 N 0.73 3.16 -0.64 2.71 2.19 0.48 -0.44 117.98 126.17 2dj3 s PHE 87 Ca -0.06 -0.79 -0.12 0.00 0.33 0.00 0.00 56.93 56.29 2dj3 s PHE 87 Cb -0.08 -2.30 0.16 0.00 -1.31 0.00 0.00 43.02 39.50 2dj3 s PHE 87 CO -0.03 -0.52 0.55 0.00 1.83 0.00 0.00 175.22 177.05 2dj3 s ALA 88 N 1.55 3.74 0.05 11.12 0.00 -0.83 -2.55 121.76 134.84 2dj3 s ALA 88 Ca 0.04 -2.90 -0.31 0.00 0.00 0.00 0.00 51.96 48.79 2dj3 s ALA 88 Cb -0.17 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 2dj3 s ALA 88 CO 0.04 -2.09 1.41 -1.25 0.00 0.00 0.00 175.76 173.87 2dj3 s PRO 89 N 0.85 4.29 -0.32 0.00 0.04 -1.26 -2.00 135.00 136.60 2dj3 s PRO 89 Ca 0.10 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 2dj3 s PRO 89 Cb -0.21 -3.46 -0.06 0.00 0.04 0.00 0.00 34.50 30.81 2dj3 s PRO 89 CO -0.03 -0.53 2.29 -1.13 0.04 0.00 0.00 177.00 177.64 2dj3 n SER 90 N 4.85 2.87 0.00 6.66 3.41 -1.26 -1.49 113.62 128.66 2dj3 n SER 90 Ca 0.13 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2dj3 n SER 90 Cb 0.43 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 2dj3 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj3 n GLY 91 N 5.91 2.53 1.07 5.00 0.00 -1.26 -4.88 105.19 113.55 2dj3 n GLY 91 Ca 0.33 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 2dj3 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dj3 n ASP 92 N 0.03 2.76 -0.25 1.61 9.92 -0.56 -4.77 116.55 125.30 2dj3 n ASP 92 Ca 0.00 -3.85 0.04 0.00 -0.53 0.00 0.00 54.79 50.45 2dj3 n ASP 92 Cb 0.00 -0.49 0.28 0.00 -0.64 0.00 0.00 41.12 40.27 2dj3 n ASP 92 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2dj3 h LYS 93 N 1.35 0.92 -1.44 -1.24 1.57 -1.68 -2.28 116.57 113.77 2dj3 h LYS 93 Ca 0.13 -0.06 0.46 0.00 -1.87 0.00 0.00 60.65 59.31 2dj3 h LYS 93 Cb 1.20 -0.21 -0.10 0.00 0.08 0.00 0.00 32.23 33.21 2dj3 h LYS 93 CO 0.27 0.61 0.98 1.63 -0.57 0.00 0.00 179.45 182.37 2dj3 n LYS 94 N -4.47 -0.02 -3.85 3.15 4.01 -1.26 -2.67 118.16 113.05 2dj3 n LYS 94 Ca 0.12 1.03 -0.34 0.00 -0.51 0.00 0.00 58.31 58.61 2dj3 n LYS 94 Cb 0.17 -2.18 -0.12 0.00 -0.51 0.00 0.00 35.03 32.39 2dj3 n LYS 94 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2dj3 s ASN 95 N -4.12 4.90 0.66 4.39 0.01 -0.86 -4.85 114.94 115.06 2dj3 s ASN 95 Ca -0.06 -2.63 -0.15 0.00 -0.71 0.00 0.00 52.86 49.31 2dj3 s ASN 95 Cb 0.26 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 40.17 2dj3 s ASN 95 CO 0.75 -0.36 1.11 -2.16 -1.51 0.00 0.00 177.10 174.92 2dj3 s PRO 96 N 0.26 2.79 -0.26 -0.60 0.04 -1.09 -4.84 135.00 131.29 2dj3 s PRO 96 Ca 0.14 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2dj3 s PRO 96 Cb -0.22 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.44 2dj3 s PRO 96 CO -0.03 -1.26 -0.05 0.42 0.04 0.00 0.00 177.00 176.12 2dj3 s ILE 97 N -2.35 1.79 0.40 0.56 1.01 -1.06 -4.94 121.20 116.60 2dj3 s ILE 97 Ca 0.67 -1.49 -0.14 0.00 0.00 0.00 0.00 60.65 59.69 2dj3 s ILE 97 Cb -0.20 -2.05 -0.08 0.00 0.01 0.00 0.00 42.46 40.14 2dj3 s ILE 97 CO 0.42 -0.16 0.81 -0.75 0.00 0.00 0.00 174.94 175.25 2dj3 s LYS 98 N 1.25 3.92 -0.28 2.79 2.20 -1.26 -0.39 119.74 127.98 2dj3 s LYS 98 Ca -0.04 0.67 -0.18 0.00 -0.36 0.00 0.00 55.97 56.06 2dj3 s LYS 98 Cb -0.19 -2.35 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 2dj3 s LYS 98 CO -0.07 -0.01 0.51 0.12 -0.36 0.00 0.00 175.35 175.54 2dj3 s PHE 99 N -2.26 3.25 -0.72 4.03 2.19 -0.96 -4.97 117.98 118.54 2dj3 s PHE 99 Ca 0.54 0.56 0.05 0.00 0.33 0.00 0.00 56.93 58.41 2dj3 s PHE 99 Cb -0.10 -2.75 0.18 0.00 -1.31 0.00 0.00 43.02 39.04 2dj3 s PHE 99 CO 0.25 -0.32 0.53 0.39 1.83 0.00 0.00 175.22 177.90 2dj3 n GLU 100 N 5.57 1.93 -3.82 10.12 1.02 -1.26 -4.72 120.64 129.47 2dj3 n GLU 100 Ca -0.04 -4.50 -0.29 0.00 -0.02 0.00 0.00 57.16 52.30 2dj3 n GLU 100 Cb 0.50 -2.30 -0.16 0.00 -0.02 0.00 0.00 31.44 29.46 2dj3 n GLU 100 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dj3 s GLY 101 N -1.43 1.01 0.49 0.62 0.00 -1.26 -4.99 107.32 101.77 2dj3 s GLY 101 Ca 0.26 -1.12 0.44 0.00 0.00 0.00 0.00 44.72 44.30 2dj3 s GLY 101 CO -0.16 1.23 1.40 0.61 0.00 0.00 0.00 173.10 176.18 2dj3 n GLY 102 N 4.85 -0.88 3.10 0.20 0.00 -1.26 -2.95 105.19 108.26 2dj3 n GLY 102 Ca -0.09 0.63 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 2dj3 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dj3 s ASN 103 N -3.90 5.22 -1.01 1.61 0.01 -1.26 -5.03 114.94 110.57 2dj3 s ASN 103 Ca -0.05 -2.37 -0.20 0.00 -0.71 0.00 0.00 52.86 49.53 2dj3 s ASN 103 Cb 0.24 -1.83 0.09 0.00 0.41 0.00 0.00 41.25 40.16 2dj3 s ASN 103 CO 0.80 -0.47 1.33 -0.13 -1.51 0.00 0.00 177.10 177.12 2dj3 s ARG 104 N 0.65 3.65 0.38 -0.60 0.52 -1.15 -4.69 118.95 117.71 2dj3 s ARG 104 Ca 0.12 -1.54 0.04 0.00 -0.52 0.00 0.00 55.73 53.83 2dj3 s ARG 104 Cb -0.22 -5.16 -0.04 0.00 0.52 0.00 0.00 34.95 30.05 2dj3 s ARG 104 CO -0.04 -2.00 0.09 -0.51 0.02 0.00 0.00 175.30 172.86 2dj3 s ASP 105 N 4.23 2.72 0.38 0.23 1.01 -1.26 -4.94 116.67 119.04 2dj3 s ASP 105 Ca 0.41 -1.55 0.13 0.00 0.71 0.00 0.00 52.55 52.24 2dj3 s ASP 105 Cb -0.02 0.27 0.75 0.00 1.01 0.00 0.00 42.92 44.94 2dj3 s ASP 105 CO -0.08 -0.80 1.84 0.25 0.21 0.00 0.00 175.17 176.59 2dj3 h LEU 106 N 1.88 0.00 -0.12 1.23 5.85 -1.93 0.18 115.31 122.40 2dj3 h LEU 106 Ca -0.38 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.10 2dj3 h LEU 106 Cb 1.27 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.30 2dj3 h LEU 106 CO 0.63 0.36 -0.99 -0.33 -0.34 0.00 0.00 178.44 177.77 2dj3 h GLU 107 N 0.00 0.44 0.15 1.25 3.07 -1.96 -2.35 114.58 115.18 2dj3 h GLU 107 Ca -0.00 -0.50 -0.30 0.00 -0.50 0.00 0.00 59.36 58.06 2dj3 h GLU 107 Cb 0.64 0.15 0.02 0.00 -0.84 0.00 0.00 28.75 28.72 2dj3 h GLU 107 CO 0.05 1.15 -1.29 0.45 -1.40 0.00 0.00 179.01 177.97 2dj3 h HIS 108 N 0.24 0.80 0.27 4.33 3.86 -1.78 -3.16 115.15 119.70 2dj3 h HIS 108 Ca -0.09 -0.54 -0.01 0.00 -1.16 0.00 0.00 60.37 58.56 2dj3 h HIS 108 Cb 1.64 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 30.07 2dj3 h HIS 108 CO 0.07 1.41 -0.13 -0.07 0.86 0.00 0.00 177.93 180.06 2dj3 h LEU 109 N 0.17 -0.31 -2.26 2.43 3.38 -0.73 -2.59 115.31 115.40 2dj3 h LEU 109 Ca -0.18 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.65 2dj3 h LEU 109 Cb 1.98 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 2dj3 h LEU 109 CO 0.23 0.02 0.23 0.77 0.09 0.00 0.00 178.44 179.79 2dj3 h SER 110 N -0.66 0.00 1.47 -0.43 4.64 -1.56 0.52 113.55 117.53 2dj3 h SER 110 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2dj3 h SER 110 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2dj3 h SER 110 CO 0.06 0.00 -0.27 0.11 -0.87 0.00 0.00 176.83 175.86 2dj3 h LYS 111 N 0.00 0.00 0.00 4.77 1.57 -1.45 -3.02 116.57 118.44 2dj3 h LYS 111 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dj3 h LYS 111 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2dj3 h LYS 111 CO -0.00 0.00 -1.29 0.34 -0.57 0.00 0.00 179.45 177.93 2dj3 n PHE 112 N -2.59 0.20 -0.04 -1.35 -0.00 0.17 -4.30 117.46 109.55 2dj3 n PHE 112 Ca 0.04 0.06 -0.02 0.00 -0.00 0.00 0.00 57.45 57.53 2dj3 n PHE 112 Cb 0.48 -0.42 -0.01 0.00 -0.00 0.00 0.00 39.48 39.54 2dj3 n PHE 112 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2dj3 h ILE 113 N 0.00 0.00 -0.77 -2.13 2.04 -1.30 -3.37 117.51 111.99 2dj3 h ILE 113 Ca 0.00 -0.54 0.22 0.00 1.00 0.00 0.00 64.86 65.54 2dj3 h ILE 113 Cb 0.79 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.72 2dj3 h ILE 113 CO 0.00 0.00 0.03 0.47 0.00 0.00 0.00 178.15 178.65 2dj3 n ASP 114 N -3.52 -0.08 0.00 1.72 8.00 -1.14 0.36 116.55 121.89 2dj3 n ASP 114 Ca -0.03 1.31 0.00 0.00 0.71 0.00 0.00 54.79 56.78 2dj3 n ASP 114 Cb 0.11 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 2dj3 n ASP 114 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dj3 n GLU 115 N -5.07 0.00 0.31 -1.24 0.28 -1.26 -1.62 120.64 112.04 2dj3 n GLU 115 Ca 0.18 0.55 0.19 0.00 -0.16 0.00 0.00 57.16 57.92 2dj3 n GLU 115 Cb 0.61 -1.28 1.06 0.00 1.43 0.00 0.00 31.44 33.25 2dj3 n GLU 115 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dj3 h HIS 116 N 0.00 0.00 -1.98 -1.84 3.86 -1.34 -3.42 115.15 110.43 2dj3 h HIS 116 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 2dj3 h HIS 116 Cb 0.00 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.58 2dj3 h HIS 116 CO -0.22 0.00 -0.08 0.00 0.86 0.00 0.00 177.93 178.49 2dj3 n ALA 117 N -2.18 -2.58 0.67 2.45 0.00 0.16 -4.83 120.51 114.20 2dj3 n ALA 117 Ca -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 53.44 52.64 2dj3 n ALA 117 Cb 0.11 -0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.55 2dj3 n ALA 117 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dj3 n THR 118 N -4.39 0.74 -3.46 0.00 5.66 -1.26 -4.83 114.28 106.75 2dj3 n THR 118 Ca 0.07 -0.26 -0.23 0.00 -3.05 0.00 0.00 64.05 60.58 2dj3 n THR 118 Cb 0.30 -0.61 -0.02 0.00 -1.55 0.00 0.00 70.33 68.45 2dj3 n THR 118 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dj3 n LYS 119 N 0.14 -2.70 -0.16 1.09 5.02 -1.24 -4.80 118.16 115.51 2dj3 n LYS 119 Ca 0.06 0.31 -0.03 0.00 -2.02 0.00 0.00 58.31 56.64 2dj3 n LYS 119 Cb 0.50 -4.95 0.19 0.00 -0.02 0.00 0.00 35.03 30.74 2dj3 n LYS 119 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2dj3 h ARG 120 N -0.76 0.89 -5.21 1.97 1.12 -1.88 -3.41 114.38 107.11 2dj3 h ARG 120 Ca -0.39 -0.16 -0.63 0.00 -1.11 0.00 0.00 59.98 57.70 2dj3 h ARG 120 Cb 1.26 -0.15 -0.20 0.00 -0.01 0.00 0.00 29.97 30.87 2dj3 h ARG 120 CO 0.51 0.76 -0.62 -1.54 -3.11 0.00 0.00 179.97 175.97 2dj3 s SER 121 N -6.52 5.20 -0.00 -3.80 1.04 -1.26 -5.04 113.70 103.32 2dj3 s SER 121 Ca -0.10 -0.06 -0.33 0.00 0.48 0.00 0.00 55.95 55.94 2dj3 s SER 121 Cb 0.16 -1.89 -0.16 0.00 0.10 0.00 0.00 66.02 64.23 2dj3 s SER 121 CO 0.80 0.12 0.88 -2.11 0.98 0.00 0.00 173.24 173.91 2dj3 n ARG 122 N 3.86 0.00 -4.08 4.02 -4.01 -1.26 -4.95 116.66 110.24 2dj3 n ARG 122 Ca -0.17 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.51 2dj3 n ARG 122 Cb 0.52 -1.23 -0.11 0.00 -3.04 0.00 0.00 32.46 28.60 2dj3 n ARG 122 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 2dj3 s THR 123 N 0.01 0.62 0.24 8.89 2.01 -1.26 -5.05 115.64 121.10 2dj3 s THR 123 Ca 0.74 -1.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 2dj3 s THR 123 Cb -1.04 -0.76 0.22 0.00 0.01 0.00 0.00 72.50 70.93 2dj3 s THR 123 CO 0.47 -0.41 1.88 0.11 -0.69 0.00 0.00 174.62 175.98 2dj3 h LYS 124 N 4.34 1.07 -6.62 4.92 1.57 -2.00 -3.45 116.57 116.39 2dj3 h LYS 124 Ca -0.36 -0.06 -0.45 0.00 -1.87 0.00 0.00 60.65 57.90 2dj3 h LYS 124 Cb 1.20 -0.24 -0.13 0.00 0.08 0.00 0.00 32.23 33.14 2dj3 h LYS 124 CO 0.43 0.71 -0.71 -0.85 -0.57 0.00 0.00 179.45 178.45 2dj3 n GLU 125 N -4.53 -0.87 0.00 3.15 0.28 -1.26 -4.77 120.64 112.64 2dj3 n GLU 125 Ca 0.11 0.04 0.11 0.00 -0.16 0.00 0.00 57.16 57.26 2dj3 n GLU 125 Cb 0.10 -2.43 0.03 0.00 1.43 0.00 0.00 31.44 30.57 2dj3 n GLU 125 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2dj3 n GLU 126 N -3.68 0.08 -3.58 3.44 0.00 -1.26 -4.81 120.64 110.83 2dj3 n GLU 126 Ca -0.21 -0.06 -0.23 0.00 0.00 0.00 0.00 57.16 56.65 2dj3 n GLU 126 Cb 0.49 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 30.28 2dj3 n GLU 126 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2dj3 s LEU 127 N -2.96 0.18 0.06 4.31 1.98 -1.26 -5.05 118.68 115.93 2dj3 s LEU 127 Ca 0.10 -0.43 -0.11 0.00 -2.89 0.00 0.00 54.13 50.80 2dj3 s LEU 127 Cb 0.17 -0.03 -0.03 0.00 0.66 0.00 0.00 46.19 46.97 2dj3 s LEU 127 CO 0.78 -0.34 1.15 -0.24 -1.89 0.00 0.00 176.35 175.82 2dj3 n SER 128 N 5.29 -0.39 -0.62 3.68 2.88 -1.26 -4.95 113.62 118.26 2dj3 n SER 128 Ca -0.06 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 2dj3 n SER 128 Cb 0.49 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2dj3 n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 129 N -1.09 -1.09 3.60 0.46 0.00 -1.26 -5.06 105.19 100.74 2dj3 n GLY 129 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 2dj3 n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj3 s PRO 130 N -0.60 -1.17 0.09 1.61 0.04 -1.26 -5.05 135.00 128.65 2dj3 s PRO 130 Ca 0.00 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 60.99 2dj3 s PRO 130 Cb 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2dj3 s PRO 130 CO 0.00 -3.68 0.00 0.43 0.04 0.00 0.00 177.00 173.79 2dj3 n SER 131 N -4.74 0.96 -4.13 6.66 7.64 -1.26 -4.99 113.62 113.76 2dj3 n SER 131 Ca 0.13 0.12 -0.37 0.00 1.01 0.00 0.00 58.87 59.76 2dj3 n SER 131 Cb 0.59 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 63.39 2dj3 n SER 131 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dj3 s SER 132 N -5.86 5.33 0.00 6.43 0.01 -1.26 -5.03 113.70 113.32 2dj3 s SER 132 Ca 0.00 -2.02 0.05 0.00 1.31 0.00 0.00 55.95 55.30 2dj3 s SER 132 Cb 0.00 -1.86 0.32 0.00 0.21 0.00 0.00 66.02 64.70 2dj3 s SER 132 CO 0.00 -0.57 0.79 0.61 0.41 0.00 0.00 173.24 174.49